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Abstract

Time-dependent density functional theory (TDDFT) is employed to study the interaction of a Ne atom with short and strong 800 nm laser pulses. In the intensity regime covered (1014–1016 W/cm2) up to triply ionized Ne is observed. Good quantitative agreement with the experimental Ne+ ion-yield (and the Ne2+-yield near saturation) is obtained. Nonsequential ionization (NSI) leads to a strong increase of the probability for double and triple ionization when compared to a single active electron (SAE)-approach. A NSI-“knee” is observed but the agreement with its experimental counterpart is not satisfactory.

Figures (3)

Fig. 1. Ionization probability of the KS orbitals after a 20 cycle pulse vs. the peak intensity of the pulse. In (a) the result for the 2p0 orbital from the full TDKS run (red) is compared with the DFT-SAE result one would expect for sequential ionization (blue: first electron; green: second electron). In (b) the full TDKS results for the 2p1 and 2s orbitals are shown. Results obtained on a different numerical grid, appropriate for higher intensities, are drawn in orange.

Fig. 2. Ne ion yields after a 20 cycle laser pulse vs. its peak intensity. The red solid, dashed, and dashed-dotted lines are results for singly, doubly, and triply ionized Ne, respectively. The blue line is the DFT-SAE result for the first 2p0 KS electron. The green line is the sequential double ionization result for the second 2p0 KS electron, again from a DFT-SAE run. Results obtained on a different numerical grid are drawn in orange. The symbols are experimental yields from [6] (diamonds: Ne+, triangles: Ne2+).

Fig. 3. Focus averaged results for singly (solid) and doubly (dashed and dotted, red) ionized Ne, calculated as described in the text. The green, dashed curve is the DFT-SAE Ne2+-result. The symbols are from experiment, like in Fig. 2 (no relative shift in intensity was necessary).